methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate

C15H13N3O3 — CID 144992030

IUPACmethyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccnc3n[nH]c(C)c23)cc1
InChIInChI=1S/C15H13N3O3/c1-9-13-12(7-8-16-14(13)18-17-9)21-11-5-3-10(4-6-11)15(19)20-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCOFVLGKQLFRBMW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate

methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate (PubChem CID 144992030) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate
PubChem CID144992030
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccnc3n[nH]c(C)c23)cc1
InChIInChI=1S/C15H13N3O3/c1-9-13-12(7-8-16-14(13)18-17-9)21-11-5-3-10(4-6-11)15(19)20-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCOFVLGKQLFRBMW-UHFFFAOYSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
1-N'-(4-fluorophenyl)-1-N'-[2-methyl-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 68512078
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
methyl 4-[(1S)-1-[[8-(4-methoxyphenoxy)isoquinolin-1-yl]amino]ethyl]benzoate
CID 118887981
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate?
The IUPAC name of methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate (CID 144992030) is methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate?
The canonical SMILES for methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate is COC(=O)c1ccc(Oc2ccnc3n[nH]c(C)c23)cc1.
What is the InChIKey of methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate?
The InChIKey is COFVLGKQLFRBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-13-12(7-8-16-14(13)18-17-9)21-11-5-3-10(4-6-11)15(19)20-2/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate?
methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate has a molecular weight of 283.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]benzoate is sourced from PubChem (CID 144992030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).